[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

C21H26N4O2 — CID 56739800

IUPAC[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESCC1CCCN1c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1
InChIInChI=1S/C21H26N4O2/c1-16-4-3-11-25(16)20-7-6-17(14-23-20)21(26)24-12-8-18(9-13-24)27-19-5-2-10-22-15-19/h2,5-7,10,14-16,18H,3-4,8-9,11-13H2,1H3
InChIKeyQYWXMKOCDNUWMR-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.15
Rot. Bonds4

About [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 56739800) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID56739800
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESCC1CCCN1c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1
InChIInChI=1S/C21H26N4O2/c1-16-4-3-11-25(16)20-7-6-17(14-23-20)21(26)24-12-8-18(9-13-24)27-19-5-2-10-22-15-19/h2,5-7,10,14-16,18H,3-4,8-9,11-13H2,1H3
InChIKeyQYWXMKOCDNUWMR-UHFFFAOYSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 56739800) is [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is CC1CCCN1c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1.
What is the InChIKey of [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is QYWXMKOCDNUWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-4-3-11-25(16)20-7-6-17(14-23-20)21(26)24-12-8-18(9-13-24)27-19-5-2-10-22-15-19/h2,5-7,10,14-16,18H,3-4,8-9,11-13H2,1H3.
What are the key properties of [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 366.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 56739800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).